2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline

C16H26N2O — CID 114592000

IUPAC2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCCOc1cc(N2CC(C)CC(C)C2C)ccc1N
InChIInChI=1S/C16H26N2O/c1-5-19-16-9-14(6-7-15(16)17)18-10-11(2)8-12(3)13(18)4/h6-7,9,11-13H,5,8,10,17H2,1-4H3
InChIKeyWLJRYXMRWWUZAU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds3

About 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline

2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline (PubChem CID 114592000) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline
PubChem CID114592000
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline
SMILESCCOc1cc(N2CC(C)CC(C)C2C)ccc1N
InChIInChI=1S/C16H26N2O/c1-5-19-16-9-14(6-7-15(16)17)18-10-11(2)8-12(3)13(18)4/h6-7,9,11-13H,5,8,10,17H2,1-4H3
InChIKeyWLJRYXMRWWUZAU-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592031
4-(1,3-dihydroisoindol-2-yl)-2-ethoxyaniline
CID 63676090
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592056
4-ethoxy-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-5-amine
CID 114591978
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654
2-ethoxy-4-(3-ethylmorpholin-4-yl)aniline
CID 55234148
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
CID 63678344
[4-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 114597977
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
2-ethoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236646
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
CID 63671664

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The IUPAC name of 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline (CID 114592000) is 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The canonical SMILES for 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline is CCOc1cc(N2CC(C)CC(C)C2C)ccc1N.
What is the InChIKey of 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
The InChIKey is WLJRYXMRWWUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-19-16-9-14(6-7-15(16)17)18-10-11(2)8-12(3)13(18)4/h6-7,9,11-13H,5,8,10,17H2,1-4H3.
What are the key properties of 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline?
2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline is sourced from PubChem (CID 114592000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).